Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50501564
Substrate
n/a
Meas. Tech.
ChEMBL_1656356 (CHEMBL4005826)
IC50
4130±n/a nM
Citation
 Wang, M; Yang, J; Yuan, M; Xue, L; Li, H; Tian, C; Wang, X; Liu, J; Zhang, Z Synthesis and antiproliferative activity of a series of novel 6-substituted pyrido[3,2-d]pyrimidines as potential nonclassical lipophilic antifolates targeting dihydrofolate reductase. Eur J Med Chem 128:88-97 (2017) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM50501564
Synonyms:
CHEMBL4094791
Type:
Small organic molecule
Emp. Form.:
C16H15N5O
Mol. Mass.:
293.3232
SMILES:
COc1cccc(\C=C\c2ccc3nc(N)nc(N)c3n2)c1
Structure:
Search PDB for entries with ligand similarity: